Neural Thermodynamic Integration: Free Energy estimation with ML-potentials

If you have a question about this talk, please contact Eszter Varga-Umbrich .

I will talk about Neural TI, a method we proposed (2406.02313, 2410.15815) to perform TI with a learnt ML-potential.

This talk is part of the Lennard-Jones Centre series.

Neural Thermodynamic Integration: Free Energy estimation with ML-potentials

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Questions? Contact Eszter Varga-Umbrich

Abstract

I will talk about Neural TI, a method we proposed (2406.02313, 2410.15815) to perform TI with a learnt ML-potential.

Series This talk is part of the Lennard-Jones Centre series.

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